Release behavior of an interstitial helium atom from 3C-SiC(100) subsurface: A first-principles study

被引：2
|
作者：
Liang, Jinting [1 ]
Tang, Xian [1 ]
Cheng, Guodong [2 ]
Zhou, Nan [1 ]
Tan, Jie [3 ]
Zhang, Yang [1 ]
机构：
[1] Univ South China, Sch Nucl Sci & Technol, Hengyang 421001, Peoples R China
[2] Univ South China, Sch Comp Sci, Hengyang 421001, Peoples R China
[3] Univ South China, Sch Math & Phys, Hengyang 421001, Peoples R China
来源：
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS | 2024年 / 553卷
基金：
中国国家自然科学基金;
关键词：
3C-SiC; Subsurface; He bubbles; Migration; Release; Density functional theory; DIFFUSION MECHANISM; EVOLUTION; DEFECTS; SURFACE; MICROSTRUCTURE; STABILITY; RELEVANT; CLUSTERS; AG;
D O I：
10.1016/j.nimb.2024.165399
中图分类号：
TH7 [仪器、仪表];
学科分类号：
0804 ; 080401 ; 081102 ;
摘要：
The annealing-promoted He release process in irradiated SiC remains unclear. Herein the atomistic release behavior of a He atom from 3C-SiC(100) subsurface is investigated by density functional theory calculations. The results show that the interstitial He atom in the 3C-SiC(100) subsurface tends to diffuse to the surface by overcoming a diffusion barrier of 0.72 eV, rather than to infiltrate into the slab interior, supporting a bulk-diffusion-limited mechanism for He release from SiC. The He atom can spontaneously diffuse on the 3C-SiC(100) surface, suggesting a retarding effect on He release from irradiated SiC. The results provide deeper insight into the release mechanism of He defects in irradiated SiC and are useful for improving defect recovery strategies.
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页数：5
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